USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 TYR OH : rot 15:sc= -0.422 USER MOD Set 1.2: A 11 TYR OH : rot 54:sc= -0.971 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= 0.698 F(o=-0.48,f=0.7) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 21 GLN : amide:sc= -0.867 K(o=-0.87,f=-2.8!) USER MOD Single : A 23 ASN : amide:sc= -0.193 K(o=-0.19,f=-5.5!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.0233 F(o=-0.55,f=-0.023) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.018) USER MOD Single : A 44 ASN : amide:sc= -0.994 K(o=-0.99,f=-3.7!) USER MOD Single : A 46 GLN : amide:sc= -0.997 K(o=-1,f=-5.4!) USER MOD Single : A 51 TYR OH : rot 27:sc= 0.352 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 9.419 5.472 -6.467 1.00 0.00 N ATOM 63 CA LYS A 5 9.304 5.332 -7.914 1.00 0.00 C ATOM 64 C LYS A 5 7.880 4.962 -8.313 1.00 0.00 C ATOM 65 O LYS A 5 7.225 4.160 -7.646 1.00 0.00 O ATOM 66 CB LYS A 5 10.281 4.270 -8.423 1.00 0.00 C ATOM 67 CG LYS A 5 11.729 4.728 -8.427 1.00 0.00 C ATOM 68 CD LYS A 5 12.561 3.938 -9.424 1.00 0.00 C ATOM 69 CE LYS A 5 13.841 3.414 -8.791 1.00 0.00 C ATOM 70 NZ LYS A 5 14.851 3.034 -9.817 1.00 0.00 N ATOM 0 HA LYS A 5 9.551 6.292 -8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.192 3.379 -7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.997 3.982 -9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.775 5.789 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.151 4.614 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.975 3.103 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.808 4.571 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.260 4.176 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.611 2.549 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.709 2.682 -9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.461 2.289 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.090 3.866 -10.394 1.00 0.00 H new ATOM 84 N LYS A 6 7.405 5.549 -9.407 1.00 0.00 N ATOM 85 CA LYS A 6 6.059 5.279 -9.898 1.00 0.00 C ATOM 86 C LYS A 6 6.069 5.027 -11.402 1.00 0.00 C ATOM 87 O LYS A 6 6.797 5.683 -12.147 1.00 0.00 O ATOM 88 CB LYS A 6 5.131 6.451 -9.573 1.00 0.00 C ATOM 89 CG LYS A 6 3.792 6.025 -8.995 1.00 0.00 C ATOM 90 CD LYS A 6 3.066 5.062 -9.920 1.00 0.00 C ATOM 91 CE LYS A 6 1.564 5.092 -9.687 1.00 0.00 C ATOM 92 NZ LYS A 6 0.970 3.727 -9.721 1.00 0.00 N ATOM 0 H LYS A 6 7.933 6.215 -9.971 1.00 0.00 H new ATOM 0 HA LYS A 6 5.690 4.382 -9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.629 7.112 -8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.958 7.029 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.947 5.552 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.172 6.905 -8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.280 5.321 -10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.440 4.051 -9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.355 5.555 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.091 5.713 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.055 3.790 -9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.147 3.295 -10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.403 3.141 -8.979 1.00 0.00 H new ATOM 106 N VAL A 7 5.256 4.073 -11.843 1.00 0.00 N ATOM 107 CA VAL A 7 5.169 3.736 -13.259 1.00 0.00 C ATOM 108 C VAL A 7 4.393 4.797 -14.030 1.00 0.00 C ATOM 109 O VAL A 7 3.350 5.269 -13.578 1.00 0.00 O ATOM 110 CB VAL A 7 4.495 2.367 -13.471 1.00 0.00 C ATOM 111 CG1 VAL A 7 3.059 2.396 -12.969 1.00 0.00 C ATOM 112 CG2 VAL A 7 4.548 1.969 -14.938 1.00 0.00 C ATOM 0 H VAL A 7 4.648 3.519 -11.240 1.00 0.00 H new ATOM 0 HA VAL A 7 6.191 3.691 -13.636 1.00 0.00 H new ATOM 0 HB VAL A 7 5.041 1.619 -12.896 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.599 1.421 -13.127 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.050 2.634 -11.905 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.498 3.155 -13.515 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.067 1.000 -15.070 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.027 2.716 -15.537 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.587 1.906 -15.260 1.00 0.00 H new ATOM 122 N TYR A 8 4.908 5.168 -15.197 1.00 0.00 N ATOM 123 CA TYR A 8 4.264 6.176 -16.031 1.00 0.00 C ATOM 124 C TYR A 8 3.039 5.599 -16.735 1.00 0.00 C ATOM 125 O TYR A 8 3.047 4.450 -17.176 1.00 0.00 O ATOM 126 CB TYR A 8 5.251 6.719 -17.065 1.00 0.00 C ATOM 127 CG TYR A 8 5.165 8.216 -17.257 1.00 0.00 C ATOM 128 CD1 TYR A 8 4.009 8.808 -17.752 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.239 9.040 -16.942 1.00 0.00 C ATOM 130 CE1 TYR A 8 3.926 10.175 -17.929 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.164 10.409 -17.114 1.00 0.00 C ATOM 132 CZ TYR A 8 5.006 10.971 -17.609 1.00 0.00 C ATOM 133 OH TYR A 8 4.927 12.334 -17.783 1.00 0.00 O ATOM 0 H TYR A 8 5.770 4.786 -15.587 1.00 0.00 H new ATOM 0 HA TYR A 8 3.939 6.992 -15.385 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.264 6.458 -16.760 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.070 6.228 -18.021 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.161 8.188 -18.003 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.148 8.603 -16.556 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.020 10.618 -18.316 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.007 11.035 -16.862 1.00 0.00 H new ATOM 0 HH TYR A 8 3.990 12.594 -17.905 1.00 0.00 H new ATOM 143 N GLU A 9 1.988 6.406 -16.836 1.00 0.00 N ATOM 144 CA GLU A 9 0.755 5.977 -17.486 1.00 0.00 C ATOM 145 C GLU A 9 1.055 5.239 -18.788 1.00 0.00 C ATOM 146 O GLU A 9 0.548 4.143 -19.023 1.00 0.00 O ATOM 147 CB GLU A 9 -0.147 7.181 -17.765 1.00 0.00 C ATOM 148 CG GLU A 9 -0.648 7.871 -16.507 1.00 0.00 C ATOM 149 CD GLU A 9 -2.130 8.186 -16.564 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.551 8.890 -17.505 1.00 0.00 O ATOM 151 OE2 GLU A 9 -2.868 7.727 -15.667 1.00 0.00 O ATOM 0 H GLU A 9 1.965 7.360 -16.476 1.00 0.00 H new ATOM 0 HA GLU A 9 0.238 5.294 -16.812 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.401 7.902 -18.371 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.003 6.854 -18.355 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.449 7.235 -15.645 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.090 8.795 -16.357 1.00 0.00 H new ATOM 158 N ASN A 10 1.882 5.851 -19.630 1.00 0.00 N ATOM 159 CA ASN A 10 2.249 5.254 -20.909 1.00 0.00 C ATOM 160 C ASN A 10 3.212 6.156 -21.674 1.00 0.00 C ATOM 161 O ASN A 10 2.843 7.245 -22.114 1.00 0.00 O ATOM 162 CB ASN A 10 0.998 4.994 -21.752 1.00 0.00 C ATOM 163 CG ASN A 10 -0.039 6.089 -21.599 1.00 0.00 C ATOM 164 OD1 ASN A 10 -1.209 5.729 -21.085 1.00 0.00 O flip ATOM 165 ND2 ASN A 10 0.208 7.246 -21.940 1.00 0.00 N flip ATOM 0 H ASN A 10 2.310 6.759 -19.450 1.00 0.00 H new ATOM 0 HA ASN A 10 2.748 4.306 -20.709 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.281 4.909 -22.801 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.560 4.039 -21.462 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.121 7.479 -22.331 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.500 7.972 -21.832 1.00 0.00 H new ATOM 172 N TYR A 11 4.449 5.695 -21.828 1.00 0.00 N ATOM 173 CA TYR A 11 5.467 6.460 -22.538 1.00 0.00 C ATOM 174 C TYR A 11 6.057 5.648 -23.686 1.00 0.00 C ATOM 175 O TYR A 11 5.981 4.419 -23.715 1.00 0.00 O ATOM 176 CB TYR A 11 6.577 6.887 -21.577 1.00 0.00 C ATOM 177 CG TYR A 11 6.573 8.367 -21.266 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.383 9.044 -21.032 1.00 0.00 C ATOM 179 CD2 TYR A 11 7.759 9.088 -21.207 1.00 0.00 C ATOM 180 CE1 TYR A 11 5.374 10.397 -20.748 1.00 0.00 C ATOM 181 CE2 TYR A 11 7.760 10.440 -20.923 1.00 0.00 C ATOM 182 CZ TYR A 11 6.565 11.090 -20.695 1.00 0.00 C ATOM 183 OH TYR A 11 6.562 12.436 -20.413 1.00 0.00 O ATOM 0 H TYR A 11 4.770 4.795 -21.471 1.00 0.00 H new ATOM 0 HA TYR A 11 4.993 7.350 -22.953 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.475 6.329 -20.646 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.542 6.617 -22.007 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.449 8.504 -21.073 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.697 8.583 -21.386 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.440 10.908 -20.569 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.691 10.985 -20.880 1.00 0.00 H new ATOM 0 HH TYR A 11 6.082 12.593 -19.573 1.00 0.00 H new ATOM 193 N PRO A 12 6.662 6.349 -24.657 1.00 0.00 N ATOM 194 CA PRO A 12 7.279 5.715 -25.825 1.00 0.00 C ATOM 195 C PRO A 12 8.542 4.939 -25.464 1.00 0.00 C ATOM 196 O PRO A 12 9.447 5.471 -24.822 1.00 0.00 O ATOM 197 CB PRO A 12 7.620 6.899 -26.733 1.00 0.00 C ATOM 198 CG PRO A 12 7.765 8.057 -25.807 1.00 0.00 C ATOM 199 CD PRO A 12 6.790 7.816 -24.687 1.00 0.00 C ATOM 0 HA PRO A 12 6.618 4.982 -26.288 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.540 6.719 -27.289 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.833 7.075 -27.467 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.785 8.129 -25.428 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.548 8.995 -26.318 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.162 8.207 -23.740 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.832 8.299 -24.877 1.00 0.00 H new ATOM 207 N VAL A 13 8.596 3.678 -25.882 1.00 0.00 N ATOM 208 CA VAL A 13 9.748 2.830 -25.604 1.00 0.00 C ATOM 209 C VAL A 13 10.983 3.316 -26.354 1.00 0.00 C ATOM 210 O VAL A 13 12.113 3.093 -25.921 1.00 0.00 O ATOM 211 CB VAL A 13 9.472 1.364 -25.988 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.723 0.518 -25.803 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.316 0.808 -25.171 1.00 0.00 C ATOM 0 H VAL A 13 7.855 3.222 -26.414 1.00 0.00 H new ATOM 0 HA VAL A 13 9.932 2.889 -24.531 1.00 0.00 H new ATOM 0 HB VAL A 13 9.192 1.329 -27.041 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.508 -0.514 -26.079 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.521 0.905 -26.437 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.037 0.557 -24.760 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.135 -0.229 -25.455 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.564 0.855 -24.111 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.419 1.398 -25.361 1.00 0.00 H new ATOM 223 N SER A 14 10.759 3.984 -27.481 1.00 0.00 N ATOM 224 CA SER A 14 11.853 4.500 -28.295 1.00 0.00 C ATOM 225 C SER A 14 12.634 5.570 -27.538 1.00 0.00 C ATOM 226 O SER A 14 13.862 5.627 -27.609 1.00 0.00 O ATOM 227 CB SER A 14 11.315 5.077 -29.605 1.00 0.00 C ATOM 228 OG SER A 14 11.538 4.186 -30.684 1.00 0.00 O ATOM 0 H SER A 14 9.829 4.181 -27.851 1.00 0.00 H new ATOM 0 HA SER A 14 12.526 3.673 -28.521 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.248 5.275 -29.508 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.799 6.032 -29.812 1.00 0.00 H new ATOM 0 HG SER A 14 11.184 4.577 -31.510 1.00 0.00 H new ATOM 234 N LYS A 15 11.913 6.418 -26.812 1.00 0.00 N ATOM 235 CA LYS A 15 12.536 7.486 -26.040 1.00 0.00 C ATOM 236 C LYS A 15 13.195 6.934 -24.780 1.00 0.00 C ATOM 237 O LYS A 15 14.221 7.444 -24.329 1.00 0.00 O ATOM 238 CB LYS A 15 11.496 8.544 -25.663 1.00 0.00 C ATOM 239 CG LYS A 15 10.829 9.195 -26.862 1.00 0.00 C ATOM 240 CD LYS A 15 11.844 9.880 -27.762 1.00 0.00 C ATOM 241 CE LYS A 15 11.889 9.239 -29.140 1.00 0.00 C ATOM 242 NZ LYS A 15 12.364 10.194 -30.180 1.00 0.00 N ATOM 0 H LYS A 15 10.896 6.386 -26.742 1.00 0.00 H new ATOM 0 HA LYS A 15 13.306 7.946 -26.659 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.731 8.083 -25.038 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.977 9.316 -25.062 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.287 8.440 -27.432 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.095 9.924 -26.519 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.592 10.936 -27.859 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.831 9.829 -27.303 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.548 8.371 -29.116 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.895 8.878 -29.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.381 9.720 -31.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.721 11.010 -30.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.322 10.520 -29.941 1.00 0.00 H new ATOM 256 N CYS A 16 12.599 5.889 -24.216 1.00 0.00 N ATOM 257 CA CYS A 16 13.128 5.266 -23.008 1.00 0.00 C ATOM 258 C CYS A 16 14.574 4.825 -23.212 1.00 0.00 C ATOM 259 O CYS A 16 15.340 4.715 -22.256 1.00 0.00 O ATOM 260 CB CYS A 16 12.268 4.065 -22.610 1.00 0.00 C ATOM 261 SG CYS A 16 11.699 4.099 -20.879 1.00 0.00 S ATOM 0 H CYS A 16 11.749 5.455 -24.576 1.00 0.00 H new ATOM 0 HA CYS A 16 13.102 6.005 -22.207 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.399 4.021 -23.266 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.839 3.152 -22.776 1.00 0.00 H new ATOM 266 N GLN A 17 14.939 4.574 -24.465 1.00 0.00 N ATOM 267 CA GLN A 17 16.293 4.145 -24.795 1.00 0.00 C ATOM 268 C GLN A 17 17.323 5.134 -24.261 1.00 0.00 C ATOM 269 O GLN A 17 18.480 4.779 -24.031 1.00 0.00 O ATOM 270 CB GLN A 17 16.449 3.996 -26.309 1.00 0.00 C ATOM 271 CG GLN A 17 16.106 2.607 -26.823 1.00 0.00 C ATOM 272 CD GLN A 17 16.967 2.190 -27.999 1.00 0.00 C ATOM 273 OE1 GLN A 17 18.137 1.845 -27.834 1.00 0.00 O ATOM 274 NE2 GLN A 17 16.390 2.219 -29.195 1.00 0.00 N ATOM 0 H GLN A 17 14.316 4.660 -25.268 1.00 0.00 H new ATOM 0 HA GLN A 17 16.466 3.178 -24.322 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.809 4.726 -26.805 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.477 4.233 -26.585 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.227 1.885 -26.015 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.057 2.582 -27.119 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.417 2.512 -29.285 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.920 1.948 -30.024 1.00 0.00 H new ATOM 283 N LEU A 18 16.897 6.377 -24.065 1.00 0.00 N ATOM 284 CA LEU A 18 17.782 7.419 -23.557 1.00 0.00 C ATOM 285 C LEU A 18 17.430 7.779 -22.117 1.00 0.00 C ATOM 286 O LEU A 18 16.351 8.305 -21.845 1.00 0.00 O ATOM 287 CB LEU A 18 17.697 8.664 -24.442 1.00 0.00 C ATOM 288 CG LEU A 18 17.910 8.438 -25.939 1.00 0.00 C ATOM 289 CD1 LEU A 18 17.713 9.736 -26.708 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.295 7.866 -26.202 1.00 0.00 C ATOM 0 H LEU A 18 15.943 6.688 -24.250 1.00 0.00 H new ATOM 0 HA LEU A 18 18.802 7.036 -23.577 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.718 9.121 -24.299 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.438 9.384 -24.094 1.00 0.00 H new ATOM 0 HG LEU A 18 17.170 7.717 -26.286 1.00 0.00 H new ATOM 0 HD11 LEU A 18 17.869 9.556 -27.772 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.700 10.104 -26.547 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.429 10.479 -26.357 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.428 7.712 -27.273 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.051 8.562 -25.839 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.400 6.913 -25.683 1.00 0.00 H new ATOM 302 N ALA A 19 18.349 7.496 -21.200 1.00 0.00 N ATOM 303 CA ALA A 19 18.137 7.794 -19.789 1.00 0.00 C ATOM 304 C ALA A 19 17.899 9.284 -19.573 1.00 0.00 C ATOM 305 O ALA A 19 17.150 9.680 -18.681 1.00 0.00 O ATOM 306 CB ALA A 19 19.326 7.322 -18.966 1.00 0.00 C ATOM 0 H ALA A 19 19.248 7.061 -21.409 1.00 0.00 H new ATOM 0 HA ALA A 19 17.246 7.259 -19.459 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.154 7.551 -17.914 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.449 6.246 -19.088 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.228 7.831 -19.305 1.00 0.00 H new ATOM 312 N ASN A 20 18.543 10.107 -20.395 1.00 0.00 N ATOM 313 CA ASN A 20 18.402 11.555 -20.292 1.00 0.00 C ATOM 314 C ASN A 20 16.991 11.993 -20.673 1.00 0.00 C ATOM 315 O ASN A 20 16.550 13.082 -20.309 1.00 0.00 O ATOM 316 CB ASN A 20 19.425 12.253 -21.190 1.00 0.00 C ATOM 317 CG ASN A 20 20.749 11.516 -21.239 1.00 0.00 C ATOM 318 OD1 ASN A 20 21.164 11.032 -22.292 1.00 0.00 O ATOM 319 ND2 ASN A 20 21.420 11.428 -20.096 1.00 0.00 N ATOM 0 H ASN A 20 19.167 9.796 -21.139 1.00 0.00 H new ATOM 0 HA ASN A 20 18.584 11.840 -19.256 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.021 12.337 -22.199 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.590 13.268 -20.828 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.317 10.944 -20.067 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.038 11.844 -19.247 1.00 0.00 H new ATOM 326 N GLN A 21 16.289 11.135 -21.407 1.00 0.00 N ATOM 327 CA GLN A 21 14.929 11.434 -21.837 1.00 0.00 C ATOM 328 C GLN A 21 13.925 11.107 -20.736 1.00 0.00 C ATOM 329 O GLN A 21 13.172 11.973 -20.291 1.00 0.00 O ATOM 330 CB GLN A 21 14.588 10.648 -23.104 1.00 0.00 C ATOM 331 CG GLN A 21 14.876 11.408 -24.388 1.00 0.00 C ATOM 332 CD GLN A 21 13.660 12.142 -24.918 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.169 11.849 -26.008 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.167 13.104 -24.146 1.00 0.00 N ATOM 0 H GLN A 21 16.640 10.228 -21.716 1.00 0.00 H new ATOM 0 HA GLN A 21 14.869 12.501 -22.052 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.155 9.717 -23.108 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.532 10.378 -23.081 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.678 12.124 -24.210 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.233 10.711 -25.146 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.606 13.314 -23.249 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.350 13.633 -24.450 1.00 0.00 H new ATOM 343 N CYS A 22 13.920 9.852 -20.301 1.00 0.00 N ATOM 344 CA CYS A 22 13.009 9.409 -19.252 1.00 0.00 C ATOM 345 C CYS A 22 13.094 10.325 -18.035 1.00 0.00 C ATOM 346 O CYS A 22 12.075 10.739 -17.485 1.00 0.00 O ATOM 347 CB CYS A 22 13.329 7.970 -18.844 1.00 0.00 C ATOM 348 SG CYS A 22 11.894 7.037 -18.220 1.00 0.00 S ATOM 0 H CYS A 22 14.537 9.123 -20.659 1.00 0.00 H new ATOM 0 HA CYS A 22 11.994 9.451 -19.646 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.745 7.444 -19.703 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.101 7.985 -18.075 1.00 0.00 H new ATOM 353 N ASN A 23 14.318 10.638 -17.621 1.00 0.00 N ATOM 354 CA ASN A 23 14.537 11.506 -16.469 1.00 0.00 C ATOM 355 C ASN A 23 14.041 12.921 -16.752 1.00 0.00 C ATOM 356 O ASN A 23 13.197 13.450 -16.028 1.00 0.00 O ATOM 357 CB ASN A 23 16.022 11.538 -16.103 1.00 0.00 C ATOM 358 CG ASN A 23 16.263 12.100 -14.716 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.177 11.382 -13.719 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.569 13.390 -14.645 1.00 0.00 N ATOM 0 H ASN A 23 15.173 10.304 -18.066 1.00 0.00 H new ATOM 0 HA ASN A 23 13.971 11.103 -15.629 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.429 10.528 -16.159 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.561 12.140 -16.835 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.744 13.824 -13.738 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.629 13.947 -15.497 1.00 0.00 H new ATOM 367 N TYR A 24 14.570 13.527 -17.808 1.00 0.00 N ATOM 368 CA TYR A 24 14.183 14.881 -18.186 1.00 0.00 C ATOM 369 C TYR A 24 12.665 15.008 -18.279 1.00 0.00 C ATOM 370 O TYR A 24 12.077 15.956 -17.759 1.00 0.00 O ATOM 371 CB TYR A 24 14.821 15.263 -19.523 1.00 0.00 C ATOM 372 CG TYR A 24 14.537 16.687 -19.945 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.015 17.760 -19.203 1.00 0.00 C ATOM 374 CD2 TYR A 24 13.792 16.958 -21.086 1.00 0.00 C ATOM 375 CE1 TYR A 24 14.757 19.063 -19.585 1.00 0.00 C ATOM 376 CE2 TYR A 24 13.531 18.258 -21.476 1.00 0.00 C ATOM 377 CZ TYR A 24 14.015 19.306 -20.722 1.00 0.00 C ATOM 378 OH TYR A 24 13.758 20.602 -21.106 1.00 0.00 O ATOM 0 H TYR A 24 15.268 13.102 -18.418 1.00 0.00 H new ATOM 0 HA TYR A 24 14.540 15.562 -17.414 1.00 0.00 H new ATOM 0 HB2 TYR A 24 15.900 15.121 -19.455 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.459 14.585 -20.296 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.598 17.573 -18.313 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.411 16.139 -21.678 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.134 19.886 -18.997 1.00 0.00 H new ATOM 0 HE2 TYR A 24 12.951 18.452 -22.366 1.00 0.00 H new ATOM 0 HH TYR A 24 13.224 20.600 -21.928 1.00 0.00 H new ATOM 388 N ASP A 25 12.038 14.045 -18.946 1.00 0.00 N ATOM 389 CA ASP A 25 10.589 14.047 -19.107 1.00 0.00 C ATOM 390 C ASP A 25 9.893 13.826 -17.768 1.00 0.00 C ATOM 391 O ASP A 25 8.990 14.576 -17.394 1.00 0.00 O ATOM 392 CB ASP A 25 10.164 12.964 -20.101 1.00 0.00 C ATOM 393 CG ASP A 25 9.086 13.443 -21.053 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.345 14.379 -20.687 1.00 0.00 O ATOM 395 OD2 ASP A 25 8.983 12.882 -22.164 1.00 0.00 O ATOM 0 H ASP A 25 12.510 13.254 -19.383 1.00 0.00 H new ATOM 0 HA ASP A 25 10.292 15.022 -19.494 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.033 12.640 -20.674 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.801 12.094 -19.553 1.00 0.00 H new ATOM 400 N CYS A 26 10.317 12.793 -17.049 1.00 0.00 N ATOM 401 CA CYS A 26 9.734 12.472 -15.752 1.00 0.00 C ATOM 402 C CYS A 26 9.792 13.676 -14.816 1.00 0.00 C ATOM 403 O CYS A 26 8.818 13.995 -14.135 1.00 0.00 O ATOM 404 CB CYS A 26 10.466 11.286 -15.120 1.00 0.00 C ATOM 405 SG CYS A 26 10.012 10.971 -13.384 1.00 0.00 S ATOM 0 H CYS A 26 11.063 12.163 -17.343 1.00 0.00 H new ATOM 0 HA CYS A 26 8.689 12.205 -15.908 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.259 10.391 -15.707 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.540 11.463 -15.177 1.00 0.00 H new ATOM 410 N LYS A 27 10.942 14.342 -14.789 1.00 0.00 N ATOM 411 CA LYS A 27 11.128 15.513 -13.940 1.00 0.00 C ATOM 412 C LYS A 27 10.485 16.747 -14.565 1.00 0.00 C ATOM 413 O LYS A 27 10.510 17.833 -13.985 1.00 0.00 O ATOM 414 CB LYS A 27 12.619 15.765 -13.705 1.00 0.00 C ATOM 415 CG LYS A 27 12.903 16.687 -12.531 1.00 0.00 C ATOM 416 CD LYS A 27 13.924 17.752 -12.892 1.00 0.00 C ATOM 417 CE LYS A 27 13.279 19.125 -13.011 1.00 0.00 C ATOM 418 NZ LYS A 27 14.239 20.147 -13.513 1.00 0.00 N ATOM 0 H LYS A 27 11.759 14.091 -15.345 1.00 0.00 H new ATOM 0 HA LYS A 27 10.643 15.318 -12.984 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.118 14.811 -13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.053 16.196 -14.608 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.977 17.164 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.269 16.101 -11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.706 17.781 -12.133 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.405 17.492 -13.835 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.424 19.068 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.897 19.433 -12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.762 21.068 -13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.043 20.220 -12.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.584 19.867 -14.453 1.00 0.00 H new ATOM 432 N LEU A 28 9.909 16.572 -15.749 1.00 0.00 N ATOM 433 CA LEU A 28 9.257 17.672 -16.452 1.00 0.00 C ATOM 434 C LEU A 28 7.742 17.604 -16.284 1.00 0.00 C ATOM 435 O LEU A 28 7.108 18.581 -15.885 1.00 0.00 O ATOM 436 CB LEU A 28 9.619 17.639 -17.938 1.00 0.00 C ATOM 437 CG LEU A 28 8.954 18.701 -18.814 1.00 0.00 C ATOM 438 CD1 LEU A 28 9.271 20.095 -18.295 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.402 18.555 -20.261 1.00 0.00 C ATOM 0 H LEU A 28 9.880 15.680 -16.242 1.00 0.00 H new ATOM 0 HA LEU A 28 9.610 18.608 -16.019 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.700 17.745 -18.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.360 16.657 -18.333 1.00 0.00 H new ATOM 0 HG LEU A 28 7.875 18.556 -18.772 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.790 20.838 -18.931 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.901 20.196 -17.275 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.350 20.251 -18.307 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.919 19.319 -20.870 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.484 18.674 -20.321 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.125 17.568 -20.630 1.00 0.00 H new ATOM 451 N ASP A 29 7.170 16.445 -16.589 1.00 0.00 N ATOM 452 CA ASP A 29 5.730 16.248 -16.468 1.00 0.00 C ATOM 453 C ASP A 29 5.355 15.829 -15.050 1.00 0.00 C ATOM 454 O ASP A 29 4.440 16.389 -14.447 1.00 0.00 O ATOM 455 CB ASP A 29 5.252 15.194 -17.468 1.00 0.00 C ATOM 456 CG ASP A 29 4.798 15.804 -18.780 1.00 0.00 C ATOM 457 OD1 ASP A 29 5.669 16.195 -19.585 1.00 0.00 O ATOM 458 OD2 ASP A 29 3.572 15.889 -19.001 1.00 0.00 O ATOM 0 H ASP A 29 7.681 15.627 -16.922 1.00 0.00 H new ATOM 0 HA ASP A 29 5.239 17.196 -16.689 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.059 14.487 -17.660 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.430 14.628 -17.030 1.00 0.00 H new ATOM 463 N LYS A 30 6.069 14.839 -14.523 1.00 0.00 N ATOM 464 CA LYS A 30 5.813 14.344 -13.176 1.00 0.00 C ATOM 465 C LYS A 30 6.575 15.165 -12.141 1.00 0.00 C ATOM 466 O LYS A 30 6.264 15.123 -10.950 1.00 0.00 O ATOM 467 CB LYS A 30 6.212 12.870 -13.068 1.00 0.00 C ATOM 468 CG LYS A 30 5.680 12.011 -14.203 1.00 0.00 C ATOM 469 CD LYS A 30 4.796 10.889 -13.685 1.00 0.00 C ATOM 470 CE LYS A 30 3.750 10.484 -14.712 1.00 0.00 C ATOM 471 NZ LYS A 30 2.457 10.117 -14.072 1.00 0.00 N ATOM 0 H LYS A 30 6.830 14.364 -15.009 1.00 0.00 H new ATOM 0 HA LYS A 30 4.746 14.441 -12.977 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.299 12.797 -13.047 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.848 12.472 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.113 12.632 -14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.514 11.589 -14.763 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.412 10.026 -13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.302 11.208 -12.767 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.589 11.306 -15.410 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.120 9.640 -15.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.771 9.847 -14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.605 9.316 -13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.091 10.931 -13.538 1.00 0.00 H new ATOM 485 N HIS A 31 7.572 15.912 -12.602 1.00 0.00 N ATOM 486 CA HIS A 31 8.377 16.745 -11.715 1.00 0.00 C ATOM 487 C HIS A 31 9.018 15.905 -10.614 1.00 0.00 C ATOM 488 O HIS A 31 9.273 16.396 -9.515 1.00 0.00 O ATOM 489 CB HIS A 31 7.517 17.847 -11.097 1.00 0.00 C ATOM 490 CG HIS A 31 6.721 18.622 -12.102 1.00 0.00 C ATOM 491 ND1 HIS A 31 5.449 18.464 -12.536 1.00 0.00 N flip ATOM 492 CD2 HIS A 31 7.227 19.705 -12.790 1.00 0.00 C flip ATOM 493 CE1 HIS A 31 5.211 19.444 -13.467 1.00 0.00 C flip ATOM 494 NE2 HIS A 31 6.300 20.180 -13.602 1.00 0.00 N flip ATOM 0 H HIS A 31 7.842 15.958 -13.584 1.00 0.00 H new ATOM 0 HA HIS A 31 9.170 17.202 -12.307 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.836 17.401 -10.372 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.161 18.534 -10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.225 20.103 -12.682 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.284 19.590 -14.002 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.407 20.979 -14.227 1.00 0.00 H new ATOM 502 N ALA A 32 9.274 14.637 -10.918 1.00 0.00 N ATOM 503 CA ALA A 32 9.886 13.730 -9.955 1.00 0.00 C ATOM 504 C ALA A 32 11.391 13.960 -9.863 1.00 0.00 C ATOM 505 O ALA A 32 12.014 14.438 -10.811 1.00 0.00 O ATOM 506 CB ALA A 32 9.593 12.285 -10.331 1.00 0.00 C ATOM 0 H ALA A 32 9.067 14.215 -11.823 1.00 0.00 H new ATOM 0 HA ALA A 32 9.453 13.934 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.056 11.619 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.515 12.122 -10.338 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.998 12.078 -11.322 1.00 0.00 H new ATOM 512 N ARG A 33 11.968 13.616 -8.716 1.00 0.00 N ATOM 513 CA ARG A 33 13.400 13.787 -8.501 1.00 0.00 C ATOM 514 C ARG A 33 14.199 13.191 -9.656 1.00 0.00 C ATOM 515 O ARG A 33 15.128 13.815 -10.169 1.00 0.00 O ATOM 516 CB ARG A 33 13.821 13.131 -7.184 1.00 0.00 C ATOM 517 CG ARG A 33 13.550 13.992 -5.961 1.00 0.00 C ATOM 518 CD ARG A 33 14.550 13.712 -4.850 1.00 0.00 C ATOM 519 NE ARG A 33 13.900 13.582 -3.549 1.00 0.00 N ATOM 520 CZ ARG A 33 13.320 14.594 -2.913 1.00 0.00 C ATOM 521 NH1 ARG A 33 13.309 15.804 -3.456 1.00 0.00 N ATOM 522 NH2 ARG A 33 12.749 14.397 -1.731 1.00 0.00 N ATOM 0 H ARG A 33 11.466 13.218 -7.922 1.00 0.00 H new ATOM 0 HA ARG A 33 13.609 14.856 -8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.293 12.183 -7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.885 12.900 -7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.598 15.045 -6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.539 13.803 -5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.096 12.796 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.283 14.518 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 33 13.891 12.664 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.747 15.959 -4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.863 16.579 -2.965 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.755 13.468 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.304 15.175 -1.244 1.00 0.00 H new ATOM 536 N SER A 34 13.830 11.979 -10.061 1.00 0.00 N ATOM 537 CA SER A 34 14.515 11.297 -11.152 1.00 0.00 C ATOM 538 C SER A 34 13.558 10.377 -11.903 1.00 0.00 C ATOM 539 O SER A 34 12.363 10.333 -11.611 1.00 0.00 O ATOM 540 CB SER A 34 15.699 10.491 -10.615 1.00 0.00 C ATOM 541 OG SER A 34 15.889 10.724 -9.230 1.00 0.00 O ATOM 0 H SER A 34 13.061 11.450 -9.650 1.00 0.00 H new ATOM 0 HA SER A 34 14.884 12.053 -11.845 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.528 9.429 -10.788 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.604 10.761 -11.160 1.00 0.00 H new ATOM 0 HG SER A 34 16.651 10.196 -8.911 1.00 0.00 H new ATOM 547 N GLY A 35 14.092 9.642 -12.875 1.00 0.00 N ATOM 548 CA GLY A 35 13.272 8.733 -13.653 1.00 0.00 C ATOM 549 C GLY A 35 14.100 7.754 -14.462 1.00 0.00 C ATOM 550 O GLY A 35 14.932 8.158 -15.274 1.00 0.00 O ATOM 0 H GLY A 35 15.078 9.661 -13.137 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.612 8.180 -12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.635 9.308 -14.325 1.00 0.00 H new ATOM 554 N GLU A 36 13.873 6.463 -14.239 1.00 0.00 N ATOM 555 CA GLU A 36 14.607 5.425 -14.952 1.00 0.00 C ATOM 556 C GLU A 36 13.666 4.585 -15.811 1.00 0.00 C ATOM 557 O GLU A 36 12.445 4.725 -15.733 1.00 0.00 O ATOM 558 CB GLU A 36 15.351 4.525 -13.964 1.00 0.00 C ATOM 559 CG GLU A 36 16.753 5.011 -13.634 1.00 0.00 C ATOM 560 CD GLU A 36 16.772 5.996 -12.481 1.00 0.00 C ATOM 561 OE1 GLU A 36 16.201 7.096 -12.631 1.00 0.00 O ATOM 562 OE2 GLU A 36 17.359 5.666 -11.429 1.00 0.00 O ATOM 0 H GLU A 36 13.187 6.112 -13.571 1.00 0.00 H new ATOM 0 HA GLU A 36 15.331 5.912 -15.605 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.773 4.456 -13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.413 3.518 -14.378 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.381 4.155 -13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.188 5.481 -14.516 1.00 0.00 H new ATOM 569 N CYS A 37 14.242 3.714 -16.632 1.00 0.00 N ATOM 570 CA CYS A 37 13.457 2.852 -17.508 1.00 0.00 C ATOM 571 C CYS A 37 13.539 1.397 -17.054 1.00 0.00 C ATOM 572 O CYS A 37 14.593 0.927 -16.626 1.00 0.00 O ATOM 573 CB CYS A 37 13.946 2.976 -18.952 1.00 0.00 C ATOM 574 SG CYS A 37 13.469 4.534 -19.767 1.00 0.00 S ATOM 0 H CYS A 37 15.251 3.586 -16.709 1.00 0.00 H new ATOM 0 HA CYS A 37 12.417 3.173 -17.456 1.00 0.00 H new ATOM 0 HB2 CYS A 37 15.032 2.889 -18.965 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.552 2.140 -19.531 1.00 0.00 H new ATOM 579 N PHE A 38 12.419 0.689 -17.152 1.00 0.00 N ATOM 580 CA PHE A 38 12.363 -0.712 -16.752 1.00 0.00 C ATOM 581 C PHE A 38 12.116 -1.613 -17.959 1.00 0.00 C ATOM 582 O PHE A 38 11.617 -1.164 -18.991 1.00 0.00 O ATOM 583 CB PHE A 38 11.262 -0.924 -15.710 1.00 0.00 C ATOM 584 CG PHE A 38 11.739 -0.768 -14.294 1.00 0.00 C ATOM 585 CD1 PHE A 38 12.549 0.298 -13.935 1.00 0.00 C ATOM 586 CD2 PHE A 38 11.379 -1.688 -13.323 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.989 0.444 -12.633 1.00 0.00 C ATOM 588 CE2 PHE A 38 11.816 -1.546 -12.019 1.00 0.00 C ATOM 589 CZ PHE A 38 12.623 -0.480 -11.674 1.00 0.00 C ATOM 0 H PHE A 38 11.538 1.062 -17.505 1.00 0.00 H new ATOM 0 HA PHE A 38 13.325 -0.977 -16.313 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.457 -0.213 -15.894 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.841 -1.922 -15.835 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.840 1.023 -14.681 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.750 -2.525 -13.587 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.618 1.280 -12.366 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.526 -2.269 -11.270 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.967 -0.369 -10.656 1.00 0.00 H new ATOM 599 N TYR A 39 12.470 -2.886 -17.821 1.00 0.00 N ATOM 600 CA TYR A 39 12.290 -3.850 -18.900 1.00 0.00 C ATOM 601 C TYR A 39 11.089 -4.752 -18.630 1.00 0.00 C ATOM 602 O TYR A 39 11.210 -5.789 -17.977 1.00 0.00 O ATOM 603 CB TYR A 39 13.551 -4.698 -19.070 1.00 0.00 C ATOM 604 CG TYR A 39 14.271 -4.458 -20.377 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.580 -4.453 -21.583 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.642 -4.234 -20.407 1.00 0.00 C ATOM 607 CE1 TYR A 39 14.234 -4.235 -22.780 1.00 0.00 C ATOM 608 CE2 TYR A 39 16.304 -4.014 -21.599 1.00 0.00 C ATOM 609 CZ TYR A 39 15.596 -4.015 -22.783 1.00 0.00 C ATOM 610 OH TYR A 39 16.251 -3.796 -23.973 1.00 0.00 O ATOM 0 H TYR A 39 12.883 -3.274 -16.973 1.00 0.00 H new ATOM 0 HA TYR A 39 12.106 -3.296 -19.821 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.233 -4.489 -18.246 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.282 -5.752 -19.002 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.513 -4.622 -21.584 1.00 0.00 H new ATOM 0 HD2 TYR A 39 16.200 -4.232 -19.482 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.682 -4.237 -23.708 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.370 -3.842 -21.604 1.00 0.00 H new ATOM 0 HH TYR A 39 17.206 -3.657 -23.800 1.00 0.00 H new ATOM 620 N LYS A 40 9.929 -4.350 -19.138 1.00 0.00 N ATOM 621 CA LYS A 40 8.705 -5.121 -18.955 1.00 0.00 C ATOM 622 C LYS A 40 8.461 -6.044 -20.144 1.00 0.00 C ATOM 623 O LYS A 40 9.185 -5.995 -21.138 1.00 0.00 O ATOM 624 CB LYS A 40 7.510 -4.183 -18.770 1.00 0.00 C ATOM 625 CG LYS A 40 6.690 -4.480 -17.527 1.00 0.00 C ATOM 626 CD LYS A 40 5.367 -5.140 -17.877 1.00 0.00 C ATOM 627 CE LYS A 40 4.315 -4.880 -16.809 1.00 0.00 C ATOM 628 NZ LYS A 40 3.488 -6.089 -16.539 1.00 0.00 N ATOM 0 H LYS A 40 9.811 -3.494 -19.680 1.00 0.00 H new ATOM 0 HA LYS A 40 8.821 -5.733 -18.060 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.870 -3.155 -18.721 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.865 -4.253 -19.646 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.258 -5.131 -16.862 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.503 -3.554 -16.983 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.014 -4.763 -18.837 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.514 -6.214 -17.991 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.803 -4.561 -15.888 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.669 -4.062 -17.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.783 -5.871 -15.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.002 -6.379 -17.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.101 -6.863 -16.211 1.00 0.00 H new ATOM 642 N GLU A 41 7.436 -6.884 -20.035 1.00 0.00 N ATOM 643 CA GLU A 41 7.097 -7.818 -21.102 1.00 0.00 C ATOM 644 C GLU A 41 8.332 -8.584 -21.568 1.00 0.00 C ATOM 645 O GLU A 41 9.355 -8.612 -20.882 1.00 0.00 O ATOM 646 CB GLU A 41 6.472 -7.072 -22.283 1.00 0.00 C ATOM 647 CG GLU A 41 5.239 -7.755 -22.850 1.00 0.00 C ATOM 648 CD GLU A 41 5.080 -7.527 -24.341 1.00 0.00 C ATOM 649 OE1 GLU A 41 6.046 -7.790 -25.087 1.00 0.00 O ATOM 650 OE2 GLU A 41 3.990 -7.086 -24.761 1.00 0.00 O ATOM 0 H GLU A 41 6.826 -6.937 -19.219 1.00 0.00 H new ATOM 0 HA GLU A 41 6.374 -8.533 -20.708 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.205 -6.064 -21.965 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.216 -6.970 -23.073 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.299 -8.826 -22.654 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.353 -7.385 -22.333 1.00 0.00 H new ATOM 657 N LYS A 42 8.230 -9.206 -22.737 1.00 0.00 N ATOM 658 CA LYS A 42 9.337 -9.972 -23.297 1.00 0.00 C ATOM 659 C LYS A 42 10.360 -9.051 -23.953 1.00 0.00 C ATOM 660 O LYS A 42 11.564 -9.194 -23.741 1.00 0.00 O ATOM 661 CB LYS A 42 8.818 -10.985 -24.319 1.00 0.00 C ATOM 662 CG LYS A 42 8.952 -12.429 -23.868 1.00 0.00 C ATOM 663 CD LYS A 42 9.473 -13.317 -24.985 1.00 0.00 C ATOM 664 CE LYS A 42 10.976 -13.525 -24.877 1.00 0.00 C ATOM 665 NZ LYS A 42 11.327 -14.478 -23.788 1.00 0.00 N ATOM 0 H LYS A 42 7.390 -9.195 -23.316 1.00 0.00 H new ATOM 0 HA LYS A 42 9.825 -10.505 -22.481 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.769 -10.774 -24.526 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.360 -10.854 -25.255 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.627 -12.483 -23.014 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.983 -12.797 -23.532 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.968 -14.282 -24.950 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.235 -12.868 -25.949 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.360 -13.900 -25.826 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.463 -12.567 -24.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.261 -14.234 -23.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.614 -14.420 -23.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.351 -15.446 -24.168 1.00 0.00 H new ATOM 679 N ARG A 43 9.873 -8.104 -24.748 1.00 0.00 N ATOM 680 CA ARG A 43 10.746 -7.159 -25.435 1.00 0.00 C ATOM 681 C ARG A 43 10.346 -5.721 -25.118 1.00 0.00 C ATOM 682 O ARG A 43 11.195 -4.835 -25.032 1.00 0.00 O ATOM 683 CB ARG A 43 10.698 -7.393 -26.946 1.00 0.00 C ATOM 684 CG ARG A 43 11.152 -8.782 -27.362 1.00 0.00 C ATOM 685 CD ARG A 43 11.669 -8.793 -28.793 1.00 0.00 C ATOM 686 NE ARG A 43 10.923 -9.723 -29.636 1.00 0.00 N ATOM 687 CZ ARG A 43 10.991 -9.729 -30.963 1.00 0.00 C ATOM 688 NH1 ARG A 43 11.768 -8.858 -31.594 1.00 0.00 N ATOM 689 NH2 ARG A 43 10.282 -10.606 -31.661 1.00 0.00 N ATOM 0 H ARG A 43 8.879 -7.971 -24.932 1.00 0.00 H new ATOM 0 HA ARG A 43 11.765 -7.321 -25.082 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.679 -7.233 -27.298 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.326 -6.652 -27.440 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.936 -9.127 -26.688 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.321 -9.481 -27.269 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.600 -7.789 -29.211 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.724 -9.067 -28.795 1.00 0.00 H new ATOM 0 HE ARG A 43 10.316 -10.405 -29.181 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.315 -8.182 -31.060 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.819 -8.864 -32.613 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.684 -11.277 -31.179 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.335 -10.609 -32.680 1.00 0.00 H new ATOM 703 N ASN A 44 9.047 -5.498 -24.947 1.00 0.00 N ATOM 704 CA ASN A 44 8.534 -4.167 -24.641 1.00 0.00 C ATOM 705 C ASN A 44 9.317 -3.532 -23.496 1.00 0.00 C ATOM 706 O ASN A 44 10.018 -4.219 -22.752 1.00 0.00 O ATOM 707 CB ASN A 44 7.049 -4.241 -24.279 1.00 0.00 C ATOM 708 CG ASN A 44 6.384 -2.878 -24.285 1.00 0.00 C ATOM 709 OD1 ASN A 44 6.733 -2.008 -25.083 1.00 0.00 O ATOM 710 ND2 ASN A 44 5.421 -2.686 -23.391 1.00 0.00 N ATOM 0 H ASN A 44 8.331 -6.221 -25.015 1.00 0.00 H new ATOM 0 HA ASN A 44 8.654 -3.546 -25.528 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.538 -4.895 -24.986 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.940 -4.691 -23.292 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.938 -1.789 -23.347 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.164 -3.436 -22.749 1.00 0.00 H new ATOM 717 N LEU A 45 9.193 -2.216 -23.361 1.00 0.00 N ATOM 718 CA LEU A 45 9.889 -1.487 -22.306 1.00 0.00 C ATOM 719 C LEU A 45 8.956 -0.490 -21.627 1.00 0.00 C ATOM 720 O LEU A 45 7.963 -0.058 -22.212 1.00 0.00 O ATOM 721 CB LEU A 45 11.104 -0.757 -22.880 1.00 0.00 C ATOM 722 CG LEU A 45 12.271 -0.535 -21.916 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.596 -0.595 -22.659 1.00 0.00 C ATOM 724 CD2 LEU A 45 12.121 0.797 -21.195 1.00 0.00 C ATOM 0 H LEU A 45 8.618 -1.632 -23.968 1.00 0.00 H new ATOM 0 HA LEU A 45 10.225 -2.208 -21.561 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.470 -1.321 -23.738 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.777 0.214 -23.253 1.00 0.00 H new ATOM 0 HG LEU A 45 12.259 -1.331 -21.172 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.414 -0.435 -21.957 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.706 -1.573 -23.128 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.619 0.180 -23.426 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.960 0.938 -20.513 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.106 1.606 -21.925 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.189 0.802 -20.629 1.00 0.00 H new ATOM 736 N GLN A 46 9.283 -0.127 -20.391 1.00 0.00 N ATOM 737 CA GLN A 46 8.475 0.821 -19.634 1.00 0.00 C ATOM 738 C GLN A 46 9.349 1.898 -19.000 1.00 0.00 C ATOM 739 O GLN A 46 10.562 1.729 -18.866 1.00 0.00 O ATOM 740 CB GLN A 46 7.677 0.093 -18.551 1.00 0.00 C ATOM 741 CG GLN A 46 6.223 -0.145 -18.923 1.00 0.00 C ATOM 742 CD GLN A 46 5.525 -1.098 -17.972 1.00 0.00 C ATOM 743 OE1 GLN A 46 5.116 -2.193 -18.360 1.00 0.00 O ATOM 744 NE2 GLN A 46 5.385 -0.685 -16.717 1.00 0.00 N ATOM 0 H GLN A 46 10.102 -0.475 -19.893 1.00 0.00 H new ATOM 0 HA GLN A 46 7.782 1.301 -20.325 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.152 -0.866 -18.344 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.717 0.674 -17.630 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.693 0.808 -18.930 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.172 -0.546 -19.935 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.739 0.230 -16.439 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.923 -1.283 -16.032 1.00 0.00 H new ATOM 753 N CYS A 47 8.727 3.006 -18.612 1.00 0.00 N ATOM 754 CA CYS A 47 9.448 4.112 -17.993 1.00 0.00 C ATOM 755 C CYS A 47 8.894 4.412 -16.603 1.00 0.00 C ATOM 756 O CYS A 47 7.721 4.756 -16.453 1.00 0.00 O ATOM 757 CB CYS A 47 9.358 5.362 -18.871 1.00 0.00 C ATOM 758 SG CYS A 47 10.961 5.928 -19.525 1.00 0.00 S ATOM 0 H CYS A 47 7.724 3.162 -18.715 1.00 0.00 H new ATOM 0 HA CYS A 47 10.494 3.821 -17.893 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.688 5.159 -19.707 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.909 6.169 -18.291 1.00 0.00 H new ATOM 763 N ILE A 48 9.745 4.280 -15.592 1.00 0.00 N ATOM 764 CA ILE A 48 9.342 4.538 -14.215 1.00 0.00 C ATOM 765 C ILE A 48 10.001 5.804 -13.678 1.00 0.00 C ATOM 766 O ILE A 48 11.156 6.095 -13.988 1.00 0.00 O ATOM 767 CB ILE A 48 9.696 3.356 -13.294 1.00 0.00 C ATOM 768 CG1 ILE A 48 9.229 2.038 -13.915 1.00 0.00 C ATOM 769 CG2 ILE A 48 9.073 3.551 -11.919 1.00 0.00 C ATOM 770 CD1 ILE A 48 9.324 0.859 -12.972 1.00 0.00 C ATOM 0 H ILE A 48 10.719 3.996 -15.700 1.00 0.00 H new ATOM 0 HA ILE A 48 8.260 4.670 -14.222 1.00 0.00 H new ATOM 0 HB ILE A 48 10.779 3.317 -13.179 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.196 2.147 -14.245 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.827 1.832 -14.803 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.332 2.707 -11.279 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.451 4.472 -11.476 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.989 3.613 -12.016 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.977 -0.041 -13.479 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.360 0.724 -12.662 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.704 1.044 -12.095 1.00 0.00 H new ATOM 782 N CYS A 49 9.259 6.552 -12.868 1.00 0.00 N ATOM 783 CA CYS A 49 9.771 7.786 -12.285 1.00 0.00 C ATOM 784 C CYS A 49 10.386 7.525 -10.913 1.00 0.00 C ATOM 785 O CYS A 49 10.398 6.392 -10.432 1.00 0.00 O ATOM 786 CB CYS A 49 8.650 8.821 -12.165 1.00 0.00 C ATOM 787 SG CYS A 49 8.406 9.830 -13.662 1.00 0.00 S ATOM 0 H CYS A 49 8.301 6.325 -12.601 1.00 0.00 H new ATOM 0 HA CYS A 49 10.547 8.175 -12.944 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.718 8.306 -11.931 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.868 9.482 -11.326 1.00 0.00 H new ATOM 792 N ASP A 50 10.895 8.582 -10.288 1.00 0.00 N ATOM 793 CA ASP A 50 11.511 8.468 -8.971 1.00 0.00 C ATOM 794 C ASP A 50 11.248 9.719 -8.139 1.00 0.00 C ATOM 795 O ASP A 50 11.411 10.841 -8.618 1.00 0.00 O ATOM 796 CB ASP A 50 13.016 8.237 -9.107 1.00 0.00 C ATOM 797 CG ASP A 50 13.642 7.725 -7.824 1.00 0.00 C ATOM 798 OD1 ASP A 50 13.866 8.541 -6.906 1.00 0.00 O ATOM 799 OD2 ASP A 50 13.906 6.508 -7.738 1.00 0.00 O ATOM 0 H ASP A 50 10.893 9.527 -10.672 1.00 0.00 H new ATOM 0 HA ASP A 50 11.066 7.614 -8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.200 7.521 -9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.499 9.170 -9.396 1.00 0.00 H new ATOM 804 N TYR A 51 10.840 9.518 -6.891 1.00 0.00 N ATOM 805 CA TYR A 51 10.551 10.630 -5.993 1.00 0.00 C ATOM 806 C TYR A 51 11.379 10.527 -4.715 1.00 0.00 C ATOM 807 O TYR A 51 10.903 10.847 -3.626 1.00 0.00 O ATOM 808 CB TYR A 51 9.061 10.660 -5.647 1.00 0.00 C ATOM 809 CG TYR A 51 8.190 11.184 -6.767 1.00 0.00 C ATOM 810 CD1 TYR A 51 8.023 12.549 -6.962 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.534 10.314 -7.629 1.00 0.00 C ATOM 812 CE1 TYR A 51 7.228 13.033 -7.983 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.738 10.789 -8.653 1.00 0.00 C ATOM 814 CZ TYR A 51 6.588 12.149 -8.826 1.00 0.00 C ATOM 815 OH TYR A 51 5.795 12.625 -9.845 1.00 0.00 O ATOM 0 H TYR A 51 10.702 8.596 -6.478 1.00 0.00 H new ATOM 0 HA TYR A 51 10.817 11.555 -6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.737 9.652 -5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.914 11.281 -4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.523 13.244 -6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.648 9.248 -7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.108 14.098 -8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.236 10.099 -9.315 1.00 0.00 H new ATOM 0 HH TYR A 51 6.106 13.515 -10.113 1.00 0.00 H new